| CAS Number | 950029-09-1 |
| Catalog Number | AG019L2I |
| Chemical Name | 4-[4-(chloromethyl)-1,3-thiazol-2-yl]-2,5,6-trimethyl-2,3-dihydropyridazin-3-one |
| IUPAC Name | 4-[4-(chloromethyl)-1,3-thiazol-2-yl]-2,5,6-trimethylpyridazin-3-one |
| InChI | InChI=1S/C11H12ClN3OS/c1-6-7(2)14-15(3)11(16)9(6)10-13-8(4-12)5-17-10/h5H,4H2,1-3H3 |
| InChI Key | QOQVBPHWFDJNBM-UHFFFAOYSA-N |
| MDL Number | MFCD09802180 |
| Molecular Formula | C11H12ClN3OS |
| Molecular Weight | 269.7505 |
| SMILES | CC1C(C)=C(C2SC=C(CCl)N=2)C(=O)N(C)N=1 |
| Synonyms | 4-[4-(chloromethyl)-1,3-thiazol-2-yl]-2,5,6-trimethyl-2,3-dihydropyridazin-3-one,
950029-09-1,
4-[4-(chloromethyl)-1,3-thiazol-2-yl]-2,5,6-trimethylpyridazin-3(2H)-one,
AC1Q407H,
CTK6H6753,
ZINC12760896,
AKOS030740555,
MCULE-6205589643,
NE14453,
EN300-29620,
|
| Complexity | 408 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.747g/mol |
| Monoisotopic Mass | 269.039g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 73.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number